smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C1=C(CS/C(=N\C2CCCCCC2)NC2CCCCCC2)N2CCN=C2S1	ZINC000049563705	581091252	/nfs/dbraw/zinc/09/12/52/581091252.db2.gz	JCVDTZFSFHPHAJ-UHFFFAOYSA-N	0	3	406.665	5.371	1	30		HKEFHN
C1=C(CSC(=NC2CCCCC2)NC2CCCCCCC2)N2CCN=C2S1	ZINC000049850418	581091344	/nfs/dbraw/zinc/09/13/44/581091344.db2.gz	PIGQJSYRAJVXAR-UHFFFAOYSA-N	0	3	406.665	5.371	1	30		HKEFHN
CC1=C2C[C@@]34CN5C[C@@]56CCC[C@H]6CC#CC[C@@]3(C)[C@]2(CC1)[C@H](C)CC41CCCC1	ZINC000085548113	291289714	/nfs/dbraw/zinc/28/97/14/291289714.db2.gz	DBNBNXKAZUWOBU-ZPGOTANMSA-N	0	3	403.654	6.731	1	30	biogenic,in-vitro	HKEFHN
CC1=C2C[C@]34CC[C@@H](C)[C@@]2(CC1)[C@]3(C)CC#CC[C@@H]1[C@H](CCCO)CC[C@@]12CN2C4	ZINC000085548199	291290007	/nfs/dbraw/zinc/29/00/07/291290007.db2.gz	HRDGEDNOAFFCQX-YLGWJMNJSA-N	0	3	407.642	5.560	1	30	biogenic,in-vitro	HKEFHN
CC1=C2C[C@]34CC[C@@H](C5CCCCC5)[C@@]2(CC1)[C@]3(C)CC#CC[C@H]1CCC[C@@]12CN2C4	ZINC000085548243	291290080	/nfs/dbraw/zinc/29/00/80/291290080.db2.gz	XQRWIFURTZPZGW-QZROAQNASA-N	0	3	417.681	7.122	1	30	biogenic,in-vitro	HKEFHN